3H-906
TL;DR: 3H-906 (CAS 338409-92-0) is a chemical compound with molecular formula C26H19Cl2F3N4O2 and molecular weight 546.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]ethane-1,2-dione
Also Known As: 3H-906, 1-[4-(4-chlorophenyl)piperazino]-2-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}-1,2-ethanedione, 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]ethane-1,2-dione, 1-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}-2-[4-(4-chlorophenyl)piperazin-1-yl]ethane-1,2-dione
| Molecular Formula | C26H19Cl2F3N4O2 |
|---|---|
| Molecular Weight | 546.08 g/mol |
| LogP | 5.8826 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 546.08374 |
| Heavy Atoms | 37 |
| Complexity | 1494.2318 |
Chemical Identifiers
| CAS Number | 338409-92-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
3H-906 (CAS 338409-92-0), with molecular formula C26H19Cl2F3N4O2 and molecular weight 546.08 g/mol. IUPAC: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]ethane-1,2-dione.
Chemical Property Profile of 3H-906
Property Insights of 3H-906
The XLogP value of 5.8826 indicates that 3H-906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, 3H-906 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-906 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-906?
The CAS number of 3H-906 is 338409-92-0.
What is the molecular formula of 3H-906?
The molecular formula of 3H-906 is C26H19Cl2F3N4O2.
What is the molecular weight of 3H-906?
The molecular weight of 3H-906 is 546.08 g/mol.
Where can I buy 3H-906?
You can request a quote for 3H-906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-906?
Yes, KEHONG BIO provides custom synthesis services for 3H-906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.